2-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one

Systemtic Name: 2-[2-oxidanylidene-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-3-(3-oxidanylpropyl)quinazolin-4-one Openeye Name: 3-(3-hydroxypropyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(3-hydroxypropyl)-2-[[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]thio]-4-quinazolinone IUPAC Name: 3-(3-hydroxypropyl)-2-[2-oxo-2-(2,4,5-trimethylphenyl)ethyl]sulfanylquinazolin-4-one Traditional Name: 3-(3-hydroxypropyl)-2-[[2-keto-2-(2,4,5-trimethylphenyl)ethyl]thio]quinazolin-4-one Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)CSC2=NC3=CC=CC=C3C(=O)N2CCCO)C)C

InChI

InChI=1S/C22H24N2O3S/c1-14-11-16(3)18(12-15(14)2)20(26)13-28-22-23-19-8-5-4-7-17(19)21(27)24(22)9-6-10-25/h4-5,7-8,11-12,25H,6,9-10,13H2,1-3H3